(1S,2S)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-1-thiophen-3-yl-ethanol

Systemtic Name: (1S,2S)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-1-thiophen-3-yl-ethanol Openeye Name: (1S,2S)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-1-(3-thienyl)ethanol CAS Name: (1S,2S)-2-(1-benzotriazolyl)-2-(methylthio)-1-phenyl-1-(3-thiophenyl)ethanol IUPAC Name: (1S,2S)-2-(benzotriazol-1-yl)-2-methylsulfanyl-1-phenyl-1-thiophen-3-ylethanol Traditional Name: (1S,2S)-2-(benzotriazol-1-yl)-2-(methylthio)-1-phenyl-1-(3-thienyl)ethanol Formula: C19H17N3OS2 MolecularWeight: 367.48778

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C1=CC=CC=C1)(C2=CSC=C2)O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CS[C@@H]([C@](C1=CC=CC=C1)(C2=CSC=C2)O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H17N3OS2/c1-24-18(22-17-10-6-5-9-16(17)20-21-22)19(23,15-11-12-25-13-15)14-7-3-2-4-8-14/h2-13,18,23H,1H3/t18-,19-/m0/s1